0 B8R0.9 C(CC(=O)O)C(=O)CN A2Z00096158 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.9 CCC(=O)NCC(=O)O A2Z00046377 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.3 COC(=O)CCCCl A2Z00098035 [1,0,0,0,0,0|1,0,1]=3 3 B7R0.3 COC(=O)CNC=O A2Z00096713 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.3 COCCC(=O)OC A2Z00094834 [1,0,0,0,0,0|1,0,0]=2 5 B7R0.4 CC(=O)CCCC#N A2Z00097349 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.4 CC(=O)NCCON A2Z00048058 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.4 CSCCCC(=O)O A2Z00070144 [1,0,0,0,0,0|1,1,1]=4 8 B7R0.6 CC(C)SCC(=O)O A2Z00055812 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.6 CN(C)CCC(=O)O A2Z00094718 [1,0,0,0,0,0|2,0,0]=3 10 B9R0.21 COC(=O)CCS(=O)(=O)Cl A2Z00039977 [0,1,0,0,0,0|2,0,0]=3 11 B9R0.24 COC(=O)C#CC(=O)OC A2Z00096096 [0,1,0,0,0,0|0,0,2]=3 12 B9R0.24 COC(=O)CCC(=O)CBr A2Z00049450 [0,1,0,0,0,0|0,0,0]=1 13 B9R0.24 COC(=O)CCC(=O)CN A2Z00096232 [0,1,0,0,0,0|0,0,0]=1 14 B9R0.42 CC(=O)C(CC(=O)OC)Br A2Z00094754 [0,1,0,0,0,0|0,0,0]=1 15 B9R0.42 CCC(=O)CC(C(=O)O)N A2Z00096363 [0,1,0,0,0,0|2,0,0]=3 16 B9R0.42 COC(=O)CC(C(=O)O)N A2Z00070351 [0,1,0,0,0,0|1,0,0]=2 17 B9R0.42 COC(=O)\C=C(/C(=O)N)\N A2Z00095467 [0,1,0,0,0,0|1,0,2]=4 18 B9R0.43 CC(=O)NCC(OC)OC A2Z00094393 [0,1,0,0,0,0|1,0,2]=4 19 B9R1.35 C1C(CNC1=O)C(=O)N A2Z00050382 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.35 C1C(NNC1=O)C(=O)O A2Z00050207 [0,0,0,1,0,0|3,0,0]=4 21 B7R0.2 CC(=O)CC(=O)OC A2Z00093511 [0,0,0,0,1,0|0,0,0]=1 22 B7R0.2 COC(=O)CC(=O)Cl A2Z00050191 [0,0,0,0,1,0|1,0,0]=2 23 B9R0.1 C(CC(=O)CN)CC(=O)O A2Z00050332 [0,0,0,0,0,1|3,0,0]=4 24 B9R0.1 COC(=O)CCCC(=O)Cl A2Z00094387 [0,0,0,0,0,1|1,0,0]=2 25 B9R0.1 COC(=O)CCC[N+](=O)[O-] A2Z00096316 [0,0,0,0,0,1|2,0,0]=3 26 B9R0.1 COC(=O)CCNC(=O)N A2Z00050193 [0,0,0,0,0,1|1,0,0]=2 27 B6R0.1 COC(=O)CCS A2Z00096087 [2,0,0,0,0,0|0,1,0]=3 28 B6R0.1 COC(=O)C[N+]#[C-] A2Z00096250 [2,0,0,0,0,0|1,0,1]=4 29 B6R0.4 CC(=O)CCCCl A2Z00094593 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.4 CC(=O)\C=C\OC A2Z00096533 [2,0,0,0,0,0|0,0,1]=3 31 B8R0.1 CCOC(=O)CCC#N A2Z00095965 [1,1,0,0,0,0|1,0,1]=4 32 B8R0.1 CCOC(=O)CCCBr A2Z00093577 [1,1,0,0,0,0|1,0,1]=4 33 B8R0.6 COC(=O)CCN=[N+]=[N-] A2Z00096043 [1,1,0,0,0,0|2,0,0]=4 34 B8R0.19 CCC(CC(=O)OC)N A2Z00050344 [1,1,0,0,0,0|0,0,1]=3 35 B8R0.19 COC(=O)CC(CN)N A2Z00050464 [1,1,0,0,0,0|1,0,1]=4 36 B8R0.23 CC(=O)CC(C(=O)O)N A2Z00050345 [1,1,0,0,0,0|0,0,0]=2 37 B8R0.23 CC(C)C(CC(=O)O)O A2Z00049174 [1,1,0,0,0,0|1,0,1]=4 38 B8R0.29 CS(=O)(=O)CCC(=O)O A2Z00048020 [1,1,0,0,0,0|1,0,0]=3 39 B8R0.29 CS(=O)(=O)NCC(=O)O A2Z00046378 [1,1,0,0,0,0|2,0,0]=4 40 B8R0.16 CC(=O)CC(OC)OC A2Z00096091 [0,1,0,0,1,0|0,0,2]=4 41 B10R0.59 CCC(=O)CCCC(=O)OC A2Z00049607 [0,1,0,0,0,1|0,0,0]=2 42 B10R0.37 CC(CS(=O)(=O)Cl)C(=O)OC A2Z00040061 [0,2,0,0,0,0|2,0,0]=4 43 B10R0.46 COC(=O)\C=C(/C(=O)OC)\N A2Z00095466 [0,2,0,0,0,0|0,0,2]=4 44 B10R0.108 COC(=O)CNC(=O)CCN A2Z00045028 [0,2,0,0,0,0|1,0,0]=3 45 B8R1.5 CC1CCCCC1=O A2Z00038642 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.22 C1CC(=O)CCNC1 A2Z00096298 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.34 C1C(CO1)CC(=O)O A2Z00096243 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.51 CC1(CCC(=O)C1)C A2Z00096352 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.18 CC1=NN(C(=O)C1)C A2Z00096083 [0,0,0,1,1,0|2,0,0]=4 50 B10R1.470 CC1(CC(=O)NC1)C(=O)O A2Z00096322 [0,1,0,1,0,0|2,0,0]=4 51 B10R1.113 C1C(CNNC1=O)C(=O)O A2Z00096532 [0,1,0,1,0,0|2,0,0]=4 52 B6R0.2 C(C(=O)O)C(=O)O A2Z00038640 [1,0,0,0,1,0|1,0,0]=3 53 B6R0.3 COC(=O)C(=N)N A2Z00096235 [0,0,0,0,2,0|2,0,0]=4